2-methyl-5-(4-oxidanylidene-1-phenyl-4-thiomorpholin-4-yl-butyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-methyl-5-(4-oxidanylidene-1-phenyl-4-thiomorpholin-4-yl-butyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-methyl-5-(4-oxo-1-phenyl-4-thiomorpholino-butyl)-1,4-benzoquinone CAS Name: 2-methyl-5-(4-oxo-1-phenyl-4-thiomorpholin-4-ylbutyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-methyl-5-(4-oxo-1-phenyl-4-thiomorpholin-4-ylbutyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(4-keto-1-phenyl-4-thiomorpholino-butyl)-5-methyl-p-benzoquinone Formula: C21H23NO3S MolecularWeight: 369.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CC1=O)C(CCC(=O)N2CCSCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(=CC1=O)C(CCC(=O)N2CCSCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO3S/c1-15-13-20(24)18(14-19(15)23)17(16-5-3-2-4-6-16)7-8-21(25)22-9-11-26-12-10-22/h2-6,13-14,17H,7-12H2,1H3